[3-(cyclobutylmethyl)imidazol-4-yl]methanol

C9H14N2O — CID 66150823

IUPAC[3-(cyclobutylmethyl)imidazol-4-yl]methanol
SMILESOCc1cncn1CC1CCC1
InChIInChI=1S/C9H14N2O/c12-6-9-4-10-7-11(9)5-8-2-1-3-8/h4,7-8,12H,1-3,5-6H2
InChIKeyACENSGJEAQSRJD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.18
Rot. Bonds3

About [3-(cyclobutylmethyl)imidazol-4-yl]methanol

[3-(cyclobutylmethyl)imidazol-4-yl]methanol (PubChem CID 66150823) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [3-(cyclobutylmethyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(cyclobutylmethyl)imidazol-4-yl]methanol
PubChem CID66150823
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[3-(cyclobutylmethyl)imidazol-4-yl]methanol
SMILESOCc1cncn1CC1CCC1
InChIInChI=1S/C9H14N2O/c12-6-9-4-10-7-11(9)5-8-2-1-3-8/h4,7-8,12H,1-3,5-6H2
InChIKeyACENSGJEAQSRJD-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclobutylmethyl)imidazol-4-yl]methanol?
The IUPAC name of [3-(cyclobutylmethyl)imidazol-4-yl]methanol (CID 66150823) is [3-(cyclobutylmethyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(cyclobutylmethyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(cyclobutylmethyl)imidazol-4-yl]methanol is OCc1cncn1CC1CCC1.
What is the InChIKey of [3-(cyclobutylmethyl)imidazol-4-yl]methanol?
The InChIKey is ACENSGJEAQSRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-6-9-4-10-7-11(9)5-8-2-1-3-8/h4,7-8,12H,1-3,5-6H2.
What are the key properties of [3-(cyclobutylmethyl)imidazol-4-yl]methanol?
[3-(cyclobutylmethyl)imidazol-4-yl]methanol has a molecular weight of 166.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclobutylmethyl)imidazol-4-yl]methanol is sourced from PubChem (CID 66150823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).